MMsINC Database Search


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MMsINC code: MMs00007105

Type: Ionized
Formula: C₁₄H₉O₂-

SMILES:

O=C([O-])c1c2Cc3c(-c2ccc1)cccc3

InChI:

InChI=1/C14H10O2/c15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H,15,16)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.4502 kcal/mol

Physical Properties
Molecular Weight: 209.224 g/mol	logS: -4.51199	SlogP: 1.62127	Reactive groups: 0

Topological Properties
Globularity: 0.00923905	Sterimol/B1: 2.39302	Sterimol/B2: 2.39315	Sterimol/B3: 4.10643
Sterimol/B4: 5.00189	Sterimol/L: 12.4381

Surface and Volume Properties
Accessible surface: 398.039	Positive charged surface: 187.114	Negative charged surface: 200.189	Volume: 202.125
Hydrophobic surface: 317.94	Hydrophilic surface: 80.099

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Parent related molecule:

MMs00007104
ACROSORGANICS-ZINC00388681